Ideas of lattice-basis reduction theory for error-stable Bravais lattice determination and ab-initio indexing
Fuente:
arXiv
Saved in:
| Main Author: | Oishi-Tomiyasu, R. |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Guiding polaritonic energy and momentum through two-dimensional Bravais lattices
by: Li, Zhonglin, et al.
Published: (2025)
by: Li, Zhonglin, et al.
Published: (2025)
Piecewise-linear embeddings of the space of 3D lattices into $\RR^{13}$ for high-throughput handling of lattice parameters
by: Oishi-Tomiyasu, Ryoko
Published: (2025)
by: Oishi-Tomiyasu, Ryoko
Published: (2025)
Facilitating {\it ab initio} configurational sampling of multicomponent solids using an on-lattice neural network model and active learning
by: Kasamatsu, Shusuke, et al.
Published: (2020)
by: Kasamatsu, Shusuke, et al.
Published: (2020)
In- and out-of-equilibrium {\em ab initio} theory of electrons and phonons
by: Stefanucci, Gianluca, et al.
Published: (2023)
by: Stefanucci, Gianluca, et al.
Published: (2023)
High pressure and temperature thermoelasticity of hcp osmium from ab initio quasi-harmonic theory
by: Gong, Xuejun, et al.
Published: (2025)
by: Gong, Xuejun, et al.
Published: (2025)
Trillion-atom molecular dynamics simulations with ab initio accuracy
by: Suo, Pengfei, et al.
Published: (2026)
by: Suo, Pengfei, et al.
Published: (2026)
Temperature dependence of electronic conductivity from ab initio thermal simulation
by: Hussein, Ridwan, et al.
Published: (2026)
by: Hussein, Ridwan, et al.
Published: (2026)
Effective Atom Theory: Gradient-Driven ab initio Materials Design
by: Tahmassebpur, Justin, et al.
Published: (2025)
by: Tahmassebpur, Justin, et al.
Published: (2025)
Efficient GW calculations for metals from an accurate ab initio polarizability
by: Sesti, Giacomo, et al.
Published: (2025)
by: Sesti, Giacomo, et al.
Published: (2025)
Wave theory of lattice dynamics
by: Tangney, Paul
Published: (2024)
by: Tangney, Paul
Published: (2024)
Exploring stable long-lifetime plasmon excitations in the Lieb lattice
by: Iurov, Andrii, et al.
Published: (2026)
by: Iurov, Andrii, et al.
Published: (2026)
Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts
by: Shang, Shun-Li, et al.
Published: (2025)
by: Shang, Shun-Li, et al.
Published: (2025)
Reciprocal space temperature-dependent phonons method from ab-initio dynamics
by: Garba, Ibrahim Buba, et al.
Published: (2023)
by: Garba, Ibrahim Buba, et al.
Published: (2023)
Enhancing ab initio diffusion calculations in materials through Gaussian process regression
by: Fattahpour, Seyyedfaridoddin, et al.
Published: (2023)
by: Fattahpour, Seyyedfaridoddin, et al.
Published: (2023)
Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry
by: Cui, Zhi-Hao, et al.
Published: (2023)
by: Cui, Zhi-Hao, et al.
Published: (2023)
The ab initio amorphous materials database: Empowering machine learning to decode diffusivity
by: Zheng, Hui, et al.
Published: (2024)
by: Zheng, Hui, et al.
Published: (2024)
Spin-split collinear antiferromagnets: a large-scale ab-initio study
by: Guo, Yaqian, et al.
Published: (2022)
by: Guo, Yaqian, et al.
Published: (2022)
Magnons in chromium trihalides from \emph{ab initio} Bethe-Salpeter equation
by: Esquembre-Kučukalić, Ali, et al.
Published: (2025)
by: Esquembre-Kučukalić, Ali, et al.
Published: (2025)
Charge control of semiconductor surfaces as elucidated by ab initio calculations a review
by: Krukowski, Stanisław, et al.
Published: (2025)
by: Krukowski, Stanisław, et al.
Published: (2025)
Influence of the Effective Mass on ab initio Phonon-limited Electron Mobility of GaAs
by: Dehghani, Mohammad, et al.
Published: (2025)
by: Dehghani, Mohammad, et al.
Published: (2025)
Coexistent topological and chiral phonons in chiral RhGe: An ab initio study
by: Reddy, P. V. Sreenivasa, et al.
Published: (2024)
by: Reddy, P. V. Sreenivasa, et al.
Published: (2024)
Automated atomistic simulations of dissociated dislocations with ab initio accuracy
by: Mismetti, Laura, et al.
Published: (2023)
by: Mismetti, Laura, et al.
Published: (2023)
Polarization doping ab initio verification of the concept charge conservation and nonlocality
by: Ahmad, Ashfaq, et al.
Published: (2021)
by: Ahmad, Ashfaq, et al.
Published: (2021)
Unified ab initio quantum-electrodynamical density-functional theory for cavity-modified electron-phonon-photon coupling in solids
by: Fan, Benshu, et al.
Published: (2026)
by: Fan, Benshu, et al.
Published: (2026)
Ab initio investigation of electronic and lattice properties of Fe$_4$(P$_2$O$_7$)$_3$
by: Pastukh, Svitlana, et al.
Published: (2025)
by: Pastukh, Svitlana, et al.
Published: (2025)
Ab initio spin Hamiltonians and magnetism of Ce and Yb triangular-lattice compounds
by: Pourovskii, Leonid V., et al.
Published: (2025)
by: Pourovskii, Leonid V., et al.
Published: (2025)
An extended ab initio theory of the V$_{\text{B}}^-$ center in hBN: excited states, Jahn-Teller distortion, and pressure dependence
by: Benedek, Zsolt, et al.
Published: (2026)
by: Benedek, Zsolt, et al.
Published: (2026)
Machine learned Force-Fields for an ab-initio Quality Description of Metal-Organic Frameworks
by: Wieser, Sandro, et al.
Published: (2023)
by: Wieser, Sandro, et al.
Published: (2023)
RASP: Reliability ab initio simulation package of MOSFETs based on all-state model
by: Guo, Xinjing, et al.
Published: (2026)
by: Guo, Xinjing, et al.
Published: (2026)
Accelerating the prediction of stacking fault energy by combining ab initio calculations and machine learning
by: Linda, Albert, et al.
Published: (2024)
by: Linda, Albert, et al.
Published: (2024)
Thermal conductivity of Li$_3$PS$_4$ solid electrolytes with ab initio accuracy
by: Tisi, Davide, et al.
Published: (2024)
by: Tisi, Davide, et al.
Published: (2024)
Conductive metal oxide and hafnium oxide bilayer ReRAM: an ab initio study
by: Honet, Antoine, et al.
Published: (2024)
by: Honet, Antoine, et al.
Published: (2024)
Revisiting ab-initio excited state forces from many-body Green's function formalism: approximations and benchmark
by: Del Grande, Rafael R., et al.
Published: (2025)
by: Del Grande, Rafael R., et al.
Published: (2025)
Symmetry-resolved elastic anomalies in spin-crossover cobaltite LaCoO$_3$
by: Watanabe, T., et al.
Published: (2022)
by: Watanabe, T., et al.
Published: (2022)
Theory of ab initio downfolding with arbitrary range electron-phonon coupling
by: Tubman, Norm M., et al.
Published: (2025)
by: Tubman, Norm M., et al.
Published: (2025)
Electronic correlations and dynamical screening with ab initio quantum embedding
by: Yeh, Chia-Nan, et al.
Published: (2026)
by: Yeh, Chia-Nan, et al.
Published: (2026)
Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
by: Strak, Pawel, et al.
Published: (2024)
by: Strak, Pawel, et al.
Published: (2024)
General ab initio framework for chiral phonons induced by electronic order
by: Zhang, Shuai, et al.
Published: (2025)
by: Zhang, Shuai, et al.
Published: (2025)
Understanding the wetting of transition metal dichalcogenides from an ab initio perspective
by: Li, Siheng, et al.
Published: (2024)
by: Li, Siheng, et al.
Published: (2024)
$\textit{Ab initio}$ correlated calculations without finite basis-set error: Numerically precise all-electron RPA correlation energies for diatomic molecules
by: Peng, Hao, et al.
Published: (2024)
by: Peng, Hao, et al.
Published: (2024)
Similar Items
-
Guiding polaritonic energy and momentum through two-dimensional Bravais lattices
by: Li, Zhonglin, et al.
Published: (2025) -
Piecewise-linear embeddings of the space of 3D lattices into $\RR^{13}$ for high-throughput handling of lattice parameters
by: Oishi-Tomiyasu, Ryoko
Published: (2025) -
Facilitating {\it ab initio} configurational sampling of multicomponent solids using an on-lattice neural network model and active learning
by: Kasamatsu, Shusuke, et al.
Published: (2020) -
In- and out-of-equilibrium {\em ab initio} theory of electrons and phonons
by: Stefanucci, Gianluca, et al.
Published: (2023) -
High pressure and temperature thermoelasticity of hcp osmium from ab initio quasi-harmonic theory
by: Gong, Xuejun, et al.
Published: (2025)